3-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pteridin-4-one

Systemtic Name: 3-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pteridin-4-one Openeye Name: 3-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pteridin-4-one CAS Name: 3-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-4-pteridinone IUPAC Name: 3-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]pteridin-4-one Traditional Name: 3-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pteridin-4-one Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CN2C=NC3=NC=CN=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CN2C=NC3=NC=CN=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O/c25-19-17-18(21-10-9-20-17)22-14-24(19)13-16(15-7-3-1-4-8-15)23-11-5-2-6-12-23/h1,3-4,7-10,14,16H,2,5-6,11-13H2/p+1/t16-/m0/s1